CID 46864104

1027338-34-6

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CC1)CN

InChI

InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-6,10H2,1-3H3,(H,11,12)

InChIKey

RPSISDKVKZYNRL-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(aminomethyl)cyclopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 186.13683 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.14411	143.6
[M+Na]+	209.12605	152.4
[M+NH4]+	204.17065	152.2
[M+K]+	225.09999	148.7
[M-H]-	185.12955	150.8
[M+Na-2H]-	207.11150	150.9
[M]+	186.13628	147.9
[M]-	186.13738	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe